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N-Acetyl-L-Val-L-Leu-[13C11,15N] trifluoroacetate salt

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General Information
Catalog: BLP-011540
Molecular Formula: C2[13C]11H24N[15N]O4.CF3COOH
Molecular Weight: 398.28

Chemical Structure

Synonyms	N-Acetyl-L-Val-13C5,15N-L-Leu-13C6 trifluoroacetate salt; N-acetyl-L-valyl-L-leucine-13C11,15N trifluoroacetic acid; Ac-Val-Leu-OH-13C11,15N TFA
IUPAC Name	(2S)-2-[[(2S)-2-(acetyl(15N)amino)-3-(1-13C)methyl(1,2,3,4-13C4)butanoyl]amino]-4-(1-13C)methyl(1,2,3,4,5-13C5)pentanoic acid;2,2,2-trifluoroacetic acid
Related CAS	23506-41-4 (unlabelled free base)
Canonical SMILES	CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C.C(=O)(C(F)(F)F)O
InChI	InChI=1S/C13H24N2O4.C2HF3O2/c1-7(2)6-10(13(18)19)15-12(17)11(8(3)4)14-9(5)16;3-2(4,5)1(6)7/h7-8,10-11H,6H2,1-5H3,(H,14,16)(H,15,17)(H,18,19);(H,6,7)/t10-,11-;/m0./s1/i1+1,2+1,3+1,4+1,6+1,7+1,8+1,10+1,11+1,12+1,13+1,14+1;
InChI Key	SZJGTOOSHWUJPL-KMCUBKOLSA-N
Melting Point	−20°C
Purity	≥97% by CP; 99% atom 13C; 99% atom 15N
Storage	Store at -20°C